Spektraris NMR
4b-Hydroxy-6a-benzoyl-7-daucen-9-one
Common Name: 4b-Hydroxy-6a-benzoyl-7-daucen-9-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O4/c1-14(2)22(25)11-10-21(4)13-17(23)15(3)12-18(19(21)22)26-20(24)16-8-6-5-7-9-16/h5-9,12,14,18-19,25H,10-11,13H2,1-4H3/t18-,19+,21+,22+/m0/s1
InChIKey: InChIKey=UFBJXPDPAABMNR-YVNJGZBMSA-N
Formula: C22H28O4
Molecular Weight: 356.456151
Exact Mass: 356.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Auzi, A.A., Gray, A.I., Salem, M.M., Badwan, A.A., Sarker, S.D. J Asian Nat Prod Res (2008) 10, 701-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 56.6 |
| 2 (CH2) | 42.4 |
| 3 (CH2) | 32.5 |
| 4 (C) | 86.8 |
| 5 (CH) | 54.8 |
| 6 (CH) | 73 |
| 7 (CH) | 138.4 |
| 8 (C) | 136.2 |
| 9 (C) | 201.3 |
| 10 (CH2) | 41.5 |
| 11 (CH) | 37.1 |
| 12 (CH3) | 17.5 |
| 13 (CH3) | 18.5 |
| 14 (CH3) | 22 |
| 15 (CH3) | 20.5 |
| 1' (C) | 166.5 |
| 2' (C) | 130.1 |
| 3' (CH) | 130 |
| 4' (CH) | 128.8 |
| 5' (CH) | 133.7 |
| 6' (CH) | 128.8 |
| 7' (CH) | 130 |
